3-[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]-2-methylsulfinylpropanoic acid

C19H20N2O5S — CID 142019525

IUPAC3-[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]-2-methylsulfinylpropanoic acid
SMILESCOc1ccc2nc(COc3ccc(CC(C(=O)O)S(C)=O)cc3)[nH]c2c1
InChIInChI=1S/C19H20N2O5S/c1-25-14-7-8-15-16(10-14)21-18(20-15)11-26-13-5-3-12(4-6-13)9-17(19(22)23)27(2)24/h3-8,10,17H,9,11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyYACKMZJKQFTLCD-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.52
Rot. Bonds8

About 3-[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]-2-methylsulfinylpropanoic acid

3-[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]-2-methylsulfinylpropanoic acid (PubChem CID 142019525) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is 3-[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]-2-methylsulfinylpropanoic acid.

Molecular Properties

Compound Name3-[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]-2-methylsulfinylpropanoic acid
PubChem CID142019525
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name3-[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]-2-methylsulfinylpropanoic acid
SMILESCOc1ccc2nc(COc3ccc(CC(C(=O)O)S(C)=O)cc3)[nH]c2c1
InChIInChI=1S/C19H20N2O5S/c1-25-14-7-8-15-16(10-14)21-18(20-15)11-26-13-5-3-12(4-6-13)9-17(19(22)23)27(2)24/h3-8,10,17H,9,11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyYACKMZJKQFTLCD-UHFFFAOYSA-N
XLogP2.52
TPSA101.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]-2-methylsulfinylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]aniline
CID 65017728
6-methoxy-2-[(3-methylphenoxy)methyl]-1H-benzimidazole
CID 27408365
2-[(4-methylphenoxy)methyl]-3H-benzimidazole-5-carboxylic acid
CID 84756425
(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine
CID 121471175
6-fluoro-2-[(4-fluorophenoxy)methyl]-1H-benzimidazole
CID 23613775
2-(chloromethyl)-6-methoxy-1H-benzimidazole;methane;(6-methoxy-1H-benzimidazol-2-yl)methanol
CID 161003256
6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole
CID 65017876
1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-one;hydrochloride
CID 44889304
6-methoxy-2-(thiophen-3-ylmethyl)-1H-benzimidazole
CID 65017413
2-(6-methoxy-3-oxo-4H-quinoxalin-2-yl)propanoic acid
CID 57363629
2-[(4-ethoxyphenoxy)methyl]-3H-benzimidazole-5-carbaldehyde
CID 84756475
3-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methylpropanethioic S-acid
CID 18184920

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]-2-methylsulfinylpropanoic acid?
The IUPAC name of 3-[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]-2-methylsulfinylpropanoic acid (CID 142019525) is 3-[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]-2-methylsulfinylpropanoic acid.
What is the SMILES notation for 3-[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]-2-methylsulfinylpropanoic acid?
The canonical SMILES for 3-[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]-2-methylsulfinylpropanoic acid is COc1ccc2nc(COc3ccc(CC(C(=O)O)S(C)=O)cc3)[nH]c2c1.
What is the InChIKey of 3-[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]-2-methylsulfinylpropanoic acid?
The InChIKey is YACKMZJKQFTLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-25-14-7-8-15-16(10-14)21-18(20-15)11-26-13-5-3-12(4-6-13)9-17(19(22)23)27(2)24/h3-8,10,17H,9,11H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 3-[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]-2-methylsulfinylpropanoic acid?
3-[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]-2-methylsulfinylpropanoic acid has a molecular weight of 388.45 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]-2-methylsulfinylpropanoic acid is sourced from PubChem (CID 142019525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).